exma

exma is a Python library with C extensions to analyze and manipulate molecular dynamics trajectories and electrochemical data.

Authors

Francisco Fernandez (E-mail: ffernandev@gmail.com)

Repository

https://github.com/fernandezfran/exma/

License

exma is under MIT License

Contents

• Installation
  • Stable release
  • From sources
• exma quick start
  • Mean Square Displacement (MSD)
  • Radial Distribution Function (RDF)
  • Coordination Number (CN)
• exma API
  • Molecular Dynamics Observables
  • Electrochemistry
  • IO
  • Distances with periodic boundary conditions (PBC distances)
  • Dev Core modules

Indices and tables

• Index

• Module Index

• Search Page